2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol

C20H27N3O — CID 142086910

IUPAC2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol
SMILESCCN(C)c1ccc(/C=N/c2ccc(N(CC)CC)cc2)c(O)c1
InChIInChI=1S/C20H27N3O/c1-5-22(4)19-11-8-16(20(24)14-19)15-21-17-9-12-18(13-10-17)23(6-2)7-3/h8-15,24H,5-7H2,1-4H3/b21-15+
InChIKeyQVLHENXNYUAPQG-RCCKNPSSSA-N
MW325.46 g/mol
LogP4.45
Rot. Bonds7

About 2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol

2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol (PubChem CID 142086910) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol.

Molecular Properties

Compound Name2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol
PubChem CID142086910
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol
SMILESCCN(C)c1ccc(/C=N/c2ccc(N(CC)CC)cc2)c(O)c1
InChIInChI=1S/C20H27N3O/c1-5-22(4)19-11-8-16(20(24)14-19)15-21-17-9-12-18(13-10-17)23(6-2)7-3/h8-15,24H,5-7H2,1-4H3/b21-15+
InChIKeyQVLHENXNYUAPQG-RCCKNPSSSA-N
XLogP4.45
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(diethylamino)-2-(phenyliminomethyl)phenol
CID 641174
N-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]acetamide
CID 738975
2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 693567
5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol
CID 135774334
[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl] thiocyanate
CID 135556431
2-(1,3-benzodioxol-5-yliminomethyl)-5-(diethylamino)phenol
CID 2352957
5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol
CID 135774370
5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol
CID 830890
2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 135675128
2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol
CID 137082909
5-(diethylamino)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenol
CID 135774341
5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol
CID 136733745

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol?
The IUPAC name of 2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol (CID 142086910) is 2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol.
What is the SMILES notation for 2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol?
The canonical SMILES for 2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol is CCN(C)c1ccc(/C=N/c2ccc(N(CC)CC)cc2)c(O)c1.
What is the InChIKey of 2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol?
The InChIKey is QVLHENXNYUAPQG-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-22(4)19-11-8-16(20(24)14-19)15-21-17-9-12-18(13-10-17)23(6-2)7-3/h8-15,24H,5-7H2,1-4H3/b21-15+.
What are the key properties of 2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol?
2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol has a molecular weight of 325.46 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol is sourced from PubChem (CID 142086910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).